(5-tert-butyl-1,2-oxazol-3-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride

C14H24ClN3O2 — CID 119490634

IUPAC(5-tert-butyl-1,2-oxazol-3-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCCN(C(=O)c2cc(C(C)(C)C)on2)C1.Cl
InChIInChI=1S/C14H23N3O2.ClH/c1-14(2,3)12-8-11(16-19-12)13(18)17-7-5-6-10(9-17)15-4;/h8,10,15H,5-7,9H2,1-4H3;1H
InChIKeyMXZODKZEMSZDFM-UHFFFAOYSA-N
MW301.82 g/mol
LogP2.22
Rot. Bonds2

About (5-tert-butyl-1,2-oxazol-3-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride

(5-tert-butyl-1,2-oxazol-3-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119490634) has the molecular formula C14H24ClN3O2 and a molecular weight of 301.82 g/mol. Its IUPAC name is (5-tert-butyl-1,2-oxazol-3-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(5-tert-butyl-1,2-oxazol-3-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
PubChem CID119490634
Molecular FormulaC14H24ClN3O2
Molecular Weight301.82 g/mol
Exact Mass301.16
IUPAC Name(5-tert-butyl-1,2-oxazol-3-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCCN(C(=O)c2cc(C(C)(C)C)on2)C1.Cl
InChIInChI=1S/C14H23N3O2.ClH/c1-14(2,3)12-8-11(16-19-12)13(18)17-7-5-6-10(9-17)15-4;/h8,10,15H,5-7,9H2,1-4H3;1H
InChIKeyMXZODKZEMSZDFM-UHFFFAOYSA-N
XLogP2.22
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(furan-2-yl)-1,2-oxazol-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119493226
(5-ethyl-1H-pyrazol-3-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492861
[(3R)-3-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 94475780
(3R,4R)-1-(5-tert-butyl-1,2-oxazole-3-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 120979764
[3-(methylamino)piperidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone
CID 119489882
(2,4-dimethyl-1,3-oxazol-5-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124574481
[3-(methylamino)piperidin-1-yl]-(5-methylfuran-3-yl)methanone
CID 114818395
[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119490318
[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124574903
[3-(methylamino)piperidin-1-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone;hydrochloride
CID 119493804
N-propan-2-yl-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide
CID 91953841
[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;dihydrochloride
CID 119492881

Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-1,2-oxazol-3-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of (5-tert-butyl-1,2-oxazol-3-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride (CID 119490634) is (5-tert-butyl-1,2-oxazol-3-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (5-tert-butyl-1,2-oxazol-3-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (5-tert-butyl-1,2-oxazol-3-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride is CNC1CCCN(C(=O)c2cc(C(C)(C)C)on2)C1.Cl.
What is the InChIKey of (5-tert-butyl-1,2-oxazol-3-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is MXZODKZEMSZDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2.ClH/c1-14(2,3)12-8-11(16-19-12)13(18)17-7-5-6-10(9-17)15-4;/h8,10,15H,5-7,9H2,1-4H3;1H.
What are the key properties of (5-tert-butyl-1,2-oxazol-3-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
(5-tert-butyl-1,2-oxazol-3-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 301.82 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-1,2-oxazol-3-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119490634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).